1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol

C16H24O3 — CID 114519162

IUPAC1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H24O3/c1-4-16(3,18-5-2)15(17)12-6-8-13(9-7-12)19-14-10-11-14/h6-9,14-15,17H,4-5,10-11H2,1-3H3
InChIKeyDKWHXKZWLWQZOW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.47
Rot. Bonds7

About 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol

1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol (PubChem CID 114519162) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol
PubChem CID114519162
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H24O3/c1-4-16(3,18-5-2)15(17)12-6-8-13(9-7-12)19-14-10-11-14/h6-9,14-15,17H,4-5,10-11H2,1-3H3
InChIKeyDKWHXKZWLWQZOW-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mephenesin
CID 4059
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
4-Methoxybenzyl alcohol
CID 7738
Triton X 100
CID 5590
4-Nonylphenol diethoxylate
CID 24773
Gastrodin
CID 115067
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
2-(p-Nonylphenoxy)ethanol
CID 7700
1'-Hydroxyestragole
CID 40003
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol (CID 114519162) is 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol is CCOC(C)(CC)C(O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol?
The InChIKey is DKWHXKZWLWQZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-16(3,18-5-2)15(17)12-6-8-13(9-7-12)19-14-10-11-14/h6-9,14-15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol?
1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol is sourced from PubChem (CID 114519162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).